Geometry & MOs

Info

ID:	79940
PubChem CID:	49831615
Reduced:	NO3C8H15 (2)
Stoich.:	AB3C8D15 (2)
Weight, g/mol:	501.06094
ΔH_f, kcal/mol:	-267.39
Dipole, Da:	0.73
IP(EA), eV:	-9.06(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-[1-(4-bromophenyl)sulfonyl-4-ethenyl-2,5-dihydropyrrol-3-yl]-4-phenylbut-3-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)N1CCOCCN(CCOCC1)[C@H](C)C(=O)OC

DOS

IR

Vibrations